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Hello Anna--
>
> Following your advice I am making transition from XPLOR language to python
> interface of XPLOR to be able to run python scripts for my structure
> calculation.
>
> I am going through?Xplor-nih-tutorial-2009 by following instructions in each
> tutorial file in each folder.
>
> When I run in gb1_simple folder ?command ? ? ? ?%xplor -smp 2 -py -o
> anneal_nordc.out anneal_nordc.py
>
>
> I get the following message in the shell where I am running this command:
>
> process 0: irregular exit.
> process 1: irregular exit.
>
take a peak at the end of anneal_nordc.out.0 and see what's going on:
there is some error.
best regards--
Charles
- --
Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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